Hi,
Whether investing in one of the fastest or two medium-high end GPU depends
on your workload: system size, type of run, single or multiple simulations,
etc. If you have multiple simulations you can run independently or coupled
only weakly in ensemble runs (e.g. using -multidir), multiple mid-ti
Message-
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
On Behalf Of
hairul.ik...@gmail.com
Sent: Tuesday, February 18, 2020 6:21 AM
To: gromacs.org_gmx-users@maillist.sys.kth.se
Subject: [gmx-users] GPU considerations for GROMACS
[EXTERNAL]
Hello,
Previously, I have helped building a
Hi,
A CPU:GPU ratio of 4:1 is fairly well balanced these days (depending on the
quality of the hardware), so you should expect to roughly double your
throughput adding a second GPU to your current system. However, that
doesn't mean
your single simulation performance will double - it's a lot more e
Hello,
Previously, I have helped building a workstation for my fellow
researcher who heavily uses GROMACS for his MD simulations, with the
following base specs:
-CPU: 8 cores (Xeon E2278G)
-RAM: 32GB
-GPU: 1x RTX2080Ti
With this setup, he managed to shrink down each simulation runtime to,
say a
